4-(4-methylphenyl)sulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(p-tolylsulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-tosyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)C

InChI

InChI=1S/C21H24N2O3S2/c1-14-7-9-17(10-8-14)28(25,26)11-5-6-20(24)22-21-23(4)18-12-15(2)16(3)13-19(18)27-21/h7-10,12-13H,5-6,11H2,1-4H3